>compound all-trans-Retinoic acid_all-trans-Retinoic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C20H28O2
#smiles OC(=O)C=C(C)C=CC=C(C)C=CC(=C(C)1)C(C)(C)CCC1
#RECORD LC-ESI-QTOF_train_data/PR100470.txt
>charge 1
>ionization [M+H]+
>parentmass 301.21672

>collision 5-60
91.0551 13.57
105.0711 12.35
119.0865 12.8
123.1171 13.4
131.0857 13.29
133.1022 11.2
145.1032 12.81
159.1162 14.5
201.1637 11.6
301.2167 35.29

